2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide

C24H18N2OS — CID 3550580

IUPAC2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESC#CCn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2ccccc21
InChIInChI=1S/C24H18N2OS/c1-2-17-26-20-15-9-10-16-21(20)28-24(26)25-23(27)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h1,3-16,22H,17H2/b25-24-
InChIKeyQMSNRFBYXOTOPH-IZHYLOQSSA-N
MW382.49 g/mol
LogP4.60
Rot. Bonds4

About 2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide

2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 3550580) has the molecular formula C24H18N2OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID3550580
Molecular FormulaC24H18N2OS
Molecular Weight382.49 g/mol
Exact Mass382.11
IUPAC Name2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESC#CCn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2ccccc21
InChIInChI=1S/C24H18N2OS/c1-2-17-26-20-15-9-10-16-21(20)28-24(26)25-23(27)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h1,3-16,22H,17H2/b25-24-
InChIKeyQMSNRFBYXOTOPH-IZHYLOQSSA-N
XLogP4.60
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide
CID 4656911
(NZ)-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)nitrous amide
CID 10330959
S-[2-oxo-2-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]ethyl] ethanethioate
CID 4521570
N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 4626305
3-methyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5079538
3,4-dimethyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3562348
4-nitro-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4652558
2,4-dichloro-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5067546
4-(benzenesulfonamido)-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043797
4-piperidin-1-ylsulfonyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5075459
3-methyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 16880087
5-nitro-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 4146901

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide (CID 3550580) is 2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide is C#CCn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2ccccc21.
What is the InChIKey of 2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is QMSNRFBYXOTOPH-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H18N2OS/c1-2-17-26-20-15-9-10-16-21(20)28-24(26)25-23(27)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h1,3-16,22H,17H2/b25-24-.
What are the key properties of 2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide?
2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 382.49 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 3550580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).